- InChI
- InChI=1S/C8H15N/c1-2-3-4-5-6-7-8-9/h2-7H2,1H3
- InChI Key
- YSIMAPNUZAVQER-UHFFFAOYSA-N
- Formula
- C8H15N
- SMILES
- CCCCCCCC#N
- Molecular Weight1
- 125.21
- CAS
- 124-12-9
- Other Names
-
- 1-Cyanoheptane
- Arneel 8
- Caprylnitrile
- Normal-heptyl cyanide
- Octanonitrile
- caprylonitrile
- heptyl cyanide
- n-Heptyl cyanide
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.5408 | Relay (1.0) Calculated Property | |
| PAff | [806.20; 811.00] | kJ/mol |
|
| PAff | 806.20 | kJ/mol | NIST |
| PAff | 811.00 | kJ/mol | NIST |
| ΔcH°liquid | -5184.50 ± 1.00 | kJ/mol | NIST |
| ΔfG° | 149.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -50.60 ± 1.50 | kJ/mol | NIST |
| ΔfH°liquid | -107.40 ± 1.50 | kJ/mol | NIST |
| ΔfusH° | 17.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [53.50; 57.20] | kJ/mol |
|
| ΔvapH° | 56.80 | kJ/mol | NIST |
| ΔvapH° | 55.70 ± 0.20 | kJ/mol | NIST |
| ΔvapH° | 56.80 ± 0.27 | kJ/mol | NIST |
| ΔvapH° | 56.80 | kJ/mol | NIST |
| ΔvapH° | 56.80 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | Outlier 53.50 | kJ/mol | NIST |
| ΔvapH° | 57.20 ± 0.30 | kJ/mol | NIST |
| IE | 10.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.870 | Crippen Calculated Property | |
| McVol | 124.960 | ml/mol | McGowan Calculated Property |
| Pc | 2850.00 ± 10.00 | kPa | NIST |
| Inp | [178.33; 1085.00] |
|
|
| Inp | 1085.00 | NIST | |
| Inp | 1080.60 | NIST | |
| Inp | 1084.00 | NIST | |
| Inp | 1082.00 | NIST | |
| Inp | 1079.30 | NIST | |
| Inp | Outlier 178.33 | NIST | |
| I | [1462.00; 1512.00] |
|
|
| I | 1512.00 | NIST | |
| I | 1462.00 | NIST | |
| I | 1512.00 | NIST | |
| Tboil | [472.20; 478.40] | K |
|
| Tboil | 472.20 | K | NIST |
| Tboil | 478.40 | K | NIST |
| Tboil | 473.00 ± 3.00 | K | NIST |
| Tboil | 478.40 ± 0.50 | K | NIST |
| Tc | 674.40 ± 0.20 | K | NIST |
| Tfus | [219.65; 314.00] | K |
|
| Tfus | 219.65 ± 0.50 | K | NIST |
| Tfus | 227.55 ± 1.00 | K | NIST |
| Tfus | 314.00 ± 2.00 | K | NIST |
| Vc | 0.492 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [356.18; 500.25] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.51465e+01 | |||
| Coefficient B | -4.19093e+03 | |||
| Coefficient C | -7.41310e+01 | |||
| Temperature range, min. | 356.18 | |||
| Temperature range, max. | 500.25 | |||
| Pvap | 1.33 | kPa | 356.18 | Calculated Property |
| Pvap | 2.96 | kPa | 372.19 | Calculated Property |
| Pvap | 6.06 | kPa | 388.20 | Calculated Property |
| Pvap | 11.58 | kPa | 404.20 | Calculated Property |
| Pvap | 20.84 | kPa | 420.21 | Calculated Property |
| Pvap | 35.59 | kPa | 436.22 | Calculated Property |
| Pvap | 58.10 | kPa | 452.23 | Calculated Property |
| Pvap | 91.14 | kPa | 468.23 | Calculated Property |
| Pvap | 138.03 | kPa | 484.24 | Calculated Property |
| Pvap | 202.63 | kPa | 500.25 | Calculated Property |
Similar Compounds
Find more compounds similar to Octanenitrile.
Mixtures
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
- Extracting Vapor Pressure Data from Gas-Liquid Chromatography Retention Times. Part 2: Analysis of Double Reference Approach
- Excess Enthalpies of {CH3(CH2)nCN, n = 5 to 12} + Methyl Methylthiomethyl Sulfoxide or + Dimethyl Sulfoxide at 298.15 K
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
Take the time to validate and double check the source of the data.
Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.
These property values are available through the Cheméo API. A free account gives you an access key.